SCHEMBL2980022

SCHEMBL2980022

FC(F)Oc1ccc(-c2csc(C3CCN(C4CCCC4)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HSD11B1 P28845 1/20 0.37
CPT1A P50416 4/20 0.36
CPT1B Q92523 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2971086 0.85 RAB9A (0.57) SMN1; SMN2LMNATSHRNPC1RAB9A
SCHEMBL2973488 0.84 NPC1 (0.42) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL2969067 0.83 NPC1 (0.45) SMN1; SMN2LMNATSHRNPC1RAB9A
SCHEMBL2972818 0.81 ALDH1A1 (0.51) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL2973505 0.81 HSD11B1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1ADRB1
SCHEMBL2981893 0.81 SLC18A3 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2976495 0.81 FAAH (0.43) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL4268570 0.80 HPGDS (0.52) SMN1; SMN2LMNATSHRNPC1RAB9A
Bromide SCHEMBL2973364 0.79 HPGDS (0.51) SMN1; SMN2LMNATSHRNPC1RAB9A
SCHEMBL2979634 0.78 ALDH1A1 (0.43) SMN1; SMN2LMNANPC1RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786143-B2 Thiazolyl piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US claimed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP claimed
EP-1945635-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-23 EP claimed
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO claimed
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 US claimed
US-7786143-B2 Thiazolyl piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US disclosed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
EP-1945635-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-23 EP disclosed
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043083-A1 Thiazolyl piperidine derivatives HRH3, HRH4, H1-3 SMN1; SMN2 3880/4885LMNA 2862/4885TSHR 13/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.